2-(2,3-dimethylanilino)benzaldehyde

C15H15NO — CID 15027376

IUPAC2-(2,3-dimethylanilino)benzaldehyde
SMILESCc1cccc(Nc2ccccc2C=O)c1C
InChIInChI=1S/C15H15NO/c1-11-6-5-9-14(12(11)2)16-15-8-4-3-7-13(15)10-17/h3-10,16H,1-2H3
InChIKeyPYSQMZPCKXSIPB-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.86
Rot. Bonds3

About 2-(2,3-dimethylanilino)benzaldehyde

2-(2,3-dimethylanilino)benzaldehyde (PubChem CID 15027376) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)benzaldehyde.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)benzaldehyde
PubChem CID15027376
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(2,3-dimethylanilino)benzaldehyde
SMILESCc1cccc(Nc2ccccc2C=O)c1C
InChIInChI=1S/C15H15NO/c1-11-6-5-9-14(12(11)2)16-15-8-4-3-7-13(15)10-17/h3-10,16H,1-2H3
InChIKeyPYSQMZPCKXSIPB-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)benzaldehyde?
The IUPAC name of 2-(2,3-dimethylanilino)benzaldehyde (CID 15027376) is 2-(2,3-dimethylanilino)benzaldehyde.
What is the SMILES notation for 2-(2,3-dimethylanilino)benzaldehyde?
The canonical SMILES for 2-(2,3-dimethylanilino)benzaldehyde is Cc1cccc(Nc2ccccc2C=O)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)benzaldehyde?
The InChIKey is PYSQMZPCKXSIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-6-5-9-14(12(11)2)16-15-8-4-3-7-13(15)10-17/h3-10,16H,1-2H3.
What are the key properties of 2-(2,3-dimethylanilino)benzaldehyde?
2-(2,3-dimethylanilino)benzaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)benzaldehyde is sourced from PubChem (CID 15027376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).